3-(2,2-dimethylpropoxycarbonyl)-4-[[1-(2-methylpyridin-4-yl)piperidin-4-yl]amino]-5-oxidanylidene-piperazine-1-carboxylic acid

Systemtic Name: 3-(2,2-dimethylpropoxycarbonyl)-4-[[1-(2-methylpyridin-4-yl)piperidin-4-yl]amino]-5-oxidanylidene-piperazine-1-carboxylic acid Openeye Name: 3-(2,2-dimethylpropoxycarbonyl)-4-[[1-(2-methyl-4-pyridyl)-4-piperidyl]amino]-5-oxo-piperazine-1-carboxylic acid CAS Name: 3-[2,2-dimethylpropoxy(oxo)methyl]-4-[[1-(2-methyl-4-pyridinyl)-4-piperidinyl]amino]-5-oxo-1-piperazinecarboxylic acid IUPAC Name: 3-(2,2-dimethylpropoxycarbonyl)-4-[[1-(2-methylpyridin-4-yl)piperidin-4-yl]amino]-5-oxopiperazine-1-carboxylic acid Traditional Name: 3-keto-4-[[1-(2-methyl-4-pyridyl)-4-piperidyl]amino]-5-neopentyloxycarbonyl-piperazine-1-carboxylic acid Formula: C22H33N5O5 MolecularWeight: 447.52792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)N2CCC(CC2)NN3C(CN(CC3=O)C(=O)O)C(=O)OCC(C)(C)C

Isomeric SMILES

CC1=NC=CC(=C1)N2CCC(CC2)NN3C(CN(CC3=O)C(=O)O)C(=O)OCC(C)(C)C

InChI

InChI=1S/C22H33N5O5/c1-15-11-17(5-8-23-15)25-9-6-16(7-10-25)24-27-18(20(29)32-14-22(2,3)4)12-26(21(30)31)13-19(27)28/h5,8,11,16,18,24H,6-7,9-10,12-14H2,1-4H3,(H,30,31)